N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine

C16H24N2O2S — CID 102916820

IUPACN-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCn1ccc2ccc(CNC(C)C)cc21
InChIInChI=1S/C16H24N2O2S/c1-4-21(19,20)10-9-18-8-7-15-6-5-14(11-16(15)18)12-17-13(2)3/h5-8,11,13,17H,4,9-10,12H2,1-3H3
InChIKeySMQPTCVPNWKJIY-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.57
Rot. Bonds7

About N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine

N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine (PubChem CID 102916820) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine
PubChem CID102916820
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCn1ccc2ccc(CNC(C)C)cc21
InChIInChI=1S/C16H24N2O2S/c1-4-21(19,20)10-9-18-8-7-15-6-5-14(11-16(15)18)12-17-13(2)3/h5-8,11,13,17H,4,9-10,12H2,1-3H3
InChIKeySMQPTCVPNWKJIY-UHFFFAOYSA-N
XLogP2.57
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-propoxyethyl)indol-6-yl]methyl]propan-2-amine
CID 106455414
N-propan-2-yl-2-[6-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 102916880
2-[1-(2-propylsulfonylethyl)indol-6-yl]ethanamine
CID 106720970
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]propan-2-amine
CID 102914430
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
CID 102917550
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-6-yl]methyl]propan-2-amine
CID 102916861
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
4-[6-[(tert-butylamino)methyl]indol-1-yl]butan-2-ol
CID 102916969
2-methoxy-N-[[1-(4-methylpentyl)indol-6-yl]methyl]ethanamine
CID 83149657
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine (CID 102916820) is N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine is CCS(=O)(=O)CCn1ccc2ccc(CNC(C)C)cc21.
What is the InChIKey of N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine?
The InChIKey is SMQPTCVPNWKJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-4-21(19,20)10-9-18-8-7-15-6-5-14(11-16(15)18)12-17-13(2)3/h5-8,11,13,17H,4,9-10,12H2,1-3H3.
What are the key properties of N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine?
N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine has a molecular weight of 308.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylsulfonylethyl)indol-6-yl]methyl]propan-2-amine is sourced from PubChem (CID 102916820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).